
 CHEMBL356373

 45 46  0  0  0  0  0  0  0  0999 V2000
    9.3792   -0.5460    0.5712 C   0  0  0  0  0
    9.3530    0.5566    1.6253 C   0  0  0  0  0
    8.5489    1.7342    1.2430 N   0  0  0  0  0
    8.7906    2.8547    2.1728 C   0  0  0  0  0
    8.3301    2.6597    3.6160 C   0  0  0  0  0
    7.1141    1.3915    1.0837 C   0  0  0  0  0
    6.1937    2.5431    0.6087 C   0  0  0  0  0
    6.6814    3.0891   -0.6613 N   0  0  0  0  0
    5.9612    4.1972   -1.1354 C   0  0  0  0  0
    4.8232    4.5896   -0.5234 N   0  0  0  0  0
    4.0644    5.6414   -1.0038 N   0  0  0  0  0
    4.4320    6.2995   -2.1215 C   0  0  0  0  0
    5.5834    5.9085   -2.7924 C   0  0  0  0  0
    6.3685    4.8517   -2.3013 C   0  0  0  0  0
    7.5814    4.4190   -3.0736 C   0  0  0  0  0
    3.5537    7.4030   -2.5573 C   0  0  0  0  0
    4.0503    8.5255   -3.2470 C   0  0  0  0  0
    3.2064    9.5667   -3.6494 C   0  0  0  0  0
    1.8447    9.5101   -3.3701 C   0  0  0  0  0
    1.3263    8.4148   -2.6862 C   0  0  0  0  0
    2.1724    7.3764   -2.2846 C   0  0  0  0  0
   10.1454   -1.2854    0.8265 H   0  0  0  0  0
    9.6157   -0.1455   -0.4200 H   0  0  0  0  0
    8.4237   -1.0774    0.5164 H   0  0  0  0  0
   10.3934    0.8727    1.7762 H   0  0  0  0  0
    9.0070    0.1285    2.5735 H   0  0  0  0  0
    8.3296    3.7655    1.7748 H   0  0  0  0  0
    9.8653    3.0778    2.1803 H   0  0  0  0  0
    7.2526    2.4865    3.6813 H   0  0  0  0  0
    8.5528    3.5595    4.1982 H   0  0  0  0  0
    8.8468    1.8240    4.0978 H   0  0  0  0  0
    6.7091    0.9744    2.0139 H   0  0  0  0  0
    7.0244    0.6074    0.3225 H   0  0  0  0  0
    6.1466    3.3212    1.3803 H   0  0  0  0  0
    5.1831    2.1385    0.4764 H   0  0  0  0  0
    7.6774    3.2898   -0.5971 H   0  0  0  0  0
    5.8688    6.4023   -3.7165 H   0  0  0  0  0
    8.4527    4.3285   -2.4174 H   0  0  0  0  0
    7.8426    5.1501   -3.8465 H   0  0  0  0  0
    7.3930    3.4593   -3.5665 H   0  0  0  0  0
    5.1122    8.6182   -3.4630 H   0  0  0  0  0
    3.6171   10.4256   -4.1745 H   0  0  0  0  0
    1.1891   10.3204   -3.6788 H   0  0  0  0  0
    0.2643    8.3655   -2.4597 H   0  0  0  0  0
    1.7406    6.5314   -1.7493 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 13 14  2  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
 18 42  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
 21 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL356373

>  <PubChem CID>
6410807

>  <Formula>
C17H24N4

>  <Molecular Weight>
284.407000

>  <IUPAC Name>
N',N'-diethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine

>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN(CC)CCNC1=NN=C(C=C1C)C2=CC=CC=C2

>  <Isomeric SMILES>
CCN(CC)CCNC1=NN=C(C=C1C)C2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C17H24N4/c1-4-21(5-2)12-11-18-17-14(3)13-16(19-20-17)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3,(H,18,20)

>  <InChI Key>
AGADJCRPQYMCDF-UHFFFAOYSA-N

